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BDBM50485819 CHEMBL2164934

SMILES: CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1cccc2cnccc12

InChI Key: InChIKey=BSSCPPKFIJXSFO-WRPCQLPWSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50485819   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
3C-like proteinase (CVB3 3Cpro)


(Coxsackievirus B3 (strain Nancy))		BDBM50485819
PNG
(CHEMBL2164934)
Show SMILES CC(C)[C@H](NC(=O)c1cc(C)on1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCC(N)=O)\C=C\C(=O)OCc1cccc2cnccc12 |r|
Show InChI InChI=1S/C36H39FN6O7/c1-21(2)33(42-35(47)30-17-22(3)50-43-30)36(48)41-29(18-23-7-9-26(37)10-8-23)34(46)40-27(11-13-31(38)44)12-14-32(45)49-20-25-6-4-5-24-19-39-16-15-28(24)25/h4-10,12,14-17,19,21,27,29,33H,11,13,18,20H2,1-3H3,(H2,38,44)(H,40,46)(H,41,48)(H,42,47)/b14-12+/t27-,29+,33+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Gwangju Institute of School of Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of Coxsackievirus B3 protease 3c using NMA-EALFQGPPVK-DNP as substrate incubated for 5 mins prior to substrate addition measured after 1 h...

Bioorg Med Chem Lett 22: 6952-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.120
BindingDB Entry DOI: 10.7270/Q2MS3WM3
More data for this
Ligand-Target Pair